1-Chloro-4-(trifluoromethylsulfonyl)benzene
TL;DR: 1-Chloro-4-(trifluoromethylsulfonyl)benzene (CAS 383-11-9) is a chemical compound with molecular formula C7H4ClF3O2S and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(trifluoromethylsulfonyl)benzene
Also Known As: 1-chloro-4-(trifluoromethylsulfonyl)benzene, 1-chloro-4-trifluoromethanesulfonylbenzene, 4-(Trifluoromethylsulfonyl)chlobenzene, Sodium hexafluoroantimonate(V), 4-(trifluoromethylsulfonyl)chlorobenzene
| Molecular Formula | C7H4ClF3O2S |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.95726 |
| Heavy Atoms | 14 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 383-11-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(F)(F)F)Cl |
| InChIKey | PVPZMAOFUOXVHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(trifluoromethylsulfonyl)benzene (CAS 383-11-9), with molecular formula C7H4ClF3O2S and molecular weight 243.96 g/mol. IUPAC: 1-chloro-4-(trifluoromethylsulfonyl)benzene.
Chemical Property Profile of 1-Chloro-4-(trifluoromethylsulfonyl)benzene
Property Insights of 1-Chloro-4-(trifluoromethylsulfonyl)benzene
The XLogP value of 3.3 indicates that 1-Chloro-4-(trifluoromethylsulfonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(trifluoromethylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(trifluoromethylsulfonyl)benzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-4-(trifluoromethylsulfonyl)benzene?
The CAS number of 1-Chloro-4-(trifluoromethylsulfonyl)benzene is 383-11-9.
What is the molecular formula of 1-Chloro-4-(trifluoromethylsulfonyl)benzene?
The molecular formula of 1-Chloro-4-(trifluoromethylsulfonyl)benzene is C7H4ClF3O2S.
What is the molecular weight of 1-Chloro-4-(trifluoromethylsulfonyl)benzene?
The molecular weight of 1-Chloro-4-(trifluoromethylsulfonyl)benzene is 243.96 g/mol.
Where can I buy 1-Chloro-4-(trifluoromethylsulfonyl)benzene?
You can request a quote for 1-Chloro-4-(trifluoromethylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(trifluoromethylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(trifluoromethylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.